Basic information
- Standard SMILES
O=C(O)[C@@H]1C[C@H]1CN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1- InChIKey
GKWPVNAPLMRNCD-SMDDNHRTSA-N- Molecular formula
- C18H19F3N2O2S
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- trans-2-[4-(6-Trifluoromethyl-benzo[b]thiophen-3-yl)-piperazin-1-ylmethyl]-cyclopropanecarboxylic acid
- IUPAC
- cis-(1R,2R)-2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid
Names & synonyms
trans-2-[4-(6-Trifluoromethyl-benzo[b]thiophen-3-yl)-piperazin-1-ylmethyl]-cyclopropanecarboxylic acidSCHEMBL2958104
Database identifiers
- PubChem CID
- 18436982
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 539
Related reactions
6 records
Compound notes
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